SCHEMBL26349135

SCHEMBL26349135

CCn1cnc2c(N)nc(P)nc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.71
▸ CCNB1 P14635 3/20 0.71
▸ CCNE1 P24864 3/20 0.71
▸ CDK2 P24941 3/20 0.71
▸ ADORA2A P29274 9/20 0.58
▸ ADORA1 P30542 7/20 0.58
▸ PI4KA P42356 2/20 0.58
▸ PI4K2B Q8TCG2 2/20 0.58
▸ PI4K2A Q9BTU6 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.58
▸ TMIGD3 P0DMS9 4/20 0.50
▸ ADORA2B P29275 3/20 0.50
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PRKCA P17252 1/20 0.39
▸ PDE8A O60658 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8767031 0.83 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161756 0.81 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15354451 0.81 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3440998 0.80 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21451434 0.80 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL13233224 0.79 CDK1 (0.69) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL28083709 0.78 CDK1 (0.63) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21755914 0.78 CDK1 (0.67) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29388366 0.78 CDK1 (0.67) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL14401041 0.76 CDK1 (0.65) CDK1CCNB1CCNE1CDK2ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 CDK1 3236/4885CCNB1 4456/4885CCNE1 4393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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